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| Format: | Artículo Open Access |
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Wiley
2026
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| Online-Zugang: | https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cssc.70634 |
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| _version_ | 1867003755717722112 |
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| author | Min Jung Park Hwi Yeon Woo Jae Hyeon Kwon Yuna Song Seong jun Lee Byoung‐Whan Soh Minkyu Kim Jong Wook Bae |
| author_facet | Min Jung Park Hwi Yeon Woo Jae Hyeon Kwon Yuna Song Seong jun Lee Byoung‐Whan Soh Minkyu Kim Jong Wook Bae Min Jung Park Hwi Yeon Woo Jae Hyeon Kwon Yuna Song Seong jun Lee Byoung‐Whan Soh Minkyu Kim Jong Wook Bae |
| collection | Wiley Open Access |
| contents | CO 2 Hydrogenation to Methanol on Core–Shell‐Structured SiO 2 ‐Encapsulated Cu‐ZnO‐In 2 O 3 Nanoparticles Min Jung Park Hwi Yeon Woo Jae Hyeon Kwon Yuna Song Seong jun Lee Byoung‐Whan Soh Minkyu Kim Jong Wook Bae ChemSusChem Since Cu‐ZnO‐based catalysts for CO 2 hydrogenation to methanol are generally suffered from thermal aggregations of Cu nanoparticles under an excess water environment, SiO 2 ‐encapsulated Cu‐ZnO‐based nanoparticles with multicore–shell structures were applied in this study. The synergistic effects of In 2 O 3 on the Cu‐ZnO surfaces and protective SiO 2 overlayers were verified to explain the positive contributions of In 2 O 3 with decreased CO selectivity and an increased methanol selectivity above 80%, which were attributed to the prohibited competitive reverse water–gas shift reaction activity and less aggregation nature of active metal (oxides) by SiO 2 shells. The increased oxygen vacant sites from partially reduced In 2 O 3 , ZnO and Cu n+ phases and larger surface area of metallic Cu 0 surfaces on the Cu‐ZnO‐In 2 O 3 @SiO 2 were responsible for an enhanced CO 2 conversion (25.3%) and methanol selectivity (80.1%) by easily activating CO 2 dissociation and suppressing RWGS reaction. To verify overall reaction mechanisms on the In 2 O 3 metal oxide‐substituted Cu nanoparticles, Gibbs free energy diagrams for formyl, formate, and carboxyl intermediates pathways were compared by Density functional theory calculations, which revealed that the most favorable pathway for CO 2 hydrogenation to CH 3 OH was CHO 2 H * intermediate‐based formyl pathway on In 2 O 3 ‐substituted Cu(111) surfaces by decreasing CO selectivity due to the suppressed RWGS reaction activity. 10.1002/cssc.70634 http://onlinelibrary.wiley.com/termsAndConditions#vor |
| doi_str_mv | 10.1002/cssc.70634 |
| format | Artículo Open Access |
| id | wiley_oa_10_1002_cssc_70634 |
| institution | Wiley Open Access |
| license_str_mv | http://onlinelibrary.wiley.com/termsAndConditions#vor |
| publishDate | 2026 |
| publisher | Wiley |
| record_format | wiley_oa |
| spellingShingle | CO 2 Hydrogenation to Methanol on Core–Shell‐Structured SiO 2 ‐Encapsulated Cu‐ZnO‐In 2 O 3 Nanoparticles Min Jung Park Hwi Yeon Woo Jae Hyeon Kwon Yuna Song Seong jun Lee Byoung‐Whan Soh Minkyu Kim Jong Wook Bae ChemSusChem CO 2 Hydrogenation to Methanol on Core–Shell‐Structured SiO 2 ‐Encapsulated Cu‐ZnO‐In 2 O 3 Nanoparticles Min Jung Park Hwi Yeon Woo Jae Hyeon Kwon Yuna Song Seong jun Lee Byoung‐Whan Soh Minkyu Kim Jong Wook Bae ChemSusChem Since Cu‐ZnO‐based catalysts for CO 2 hydrogenation to methanol are generally suffered from thermal aggregations of Cu nanoparticles under an excess water environment, SiO 2 ‐encapsulated Cu‐ZnO‐based nanoparticles with multicore–shell structures were applied in this study. The synergistic effects of In 2 O 3 on the Cu‐ZnO surfaces and protective SiO 2 overlayers were verified to explain the positive contributions of In 2 O 3 with decreased CO selectivity and an increased methanol selectivity above 80%, which were attributed to the prohibited competitive reverse water–gas shift reaction activity and less aggregation nature of active metal (oxides) by SiO 2 shells. The increased oxygen vacant sites from partially reduced In 2 O 3 , ZnO and Cu n+ phases and larger surface area of metallic Cu 0 surfaces on the Cu‐ZnO‐In 2 O 3 @SiO 2 were responsible for an enhanced CO 2 conversion (25.3%) and methanol selectivity (80.1%) by easily activating CO 2 dissociation and suppressing RWGS reaction. To verify overall reaction mechanisms on the In 2 O 3 metal oxide‐substituted Cu nanoparticles, Gibbs free energy diagrams for formyl, formate, and carboxyl intermediates pathways were compared by Density functional theory calculations, which revealed that the most favorable pathway for CO 2 hydrogenation to CH 3 OH was CHO 2 H * intermediate‐based formyl pathway on In 2 O 3 ‐substituted Cu(111) surfaces by decreasing CO selectivity due to the suppressed RWGS reaction activity. 10.1002/cssc.70634 http://onlinelibrary.wiley.com/termsAndConditions#vor |
| title | CO 2 Hydrogenation to Methanol on Core–Shell‐Structured SiO 2 ‐Encapsulated Cu‐ZnO‐In 2 O 3 Nanoparticles |
| topic | ChemSusChem |
| url | https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cssc.70634 |